3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid

C16H22N2O3 — CID 61159722

IUPAC3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
SMILESNC1CCC(C(=O)N(CCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c17-13-8-6-12(7-9-13)16(21)18(11-10-15(19)20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,19,20)
InChIKeyYTGGKCJRNZIFHF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds5

About 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid

3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid (PubChem CID 61159722) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
PubChem CID61159722
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
SMILESNC1CCC(C(=O)N(CCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c17-13-8-6-12(7-9-13)16(21)18(11-10-15(19)20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,19,20)
InChIKeyYTGGKCJRNZIFHF-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid
CID 82321208
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid
CID 82758312
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
CID 119749158

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid?
The IUPAC name of 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid (CID 61159722) is 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid is NC1CCC(C(=O)N(CCC(=O)O)c2ccccc2)CC1.
What is the InChIKey of 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid?
The InChIKey is YTGGKCJRNZIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-8-6-12(7-9-13)16(21)18(11-10-15(19)20)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,19,20).
What are the key properties of 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid?
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid is sourced from PubChem (CID 61159722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).